CID 1712276

29021-67-8

Structural Information

Molecular Formula
C10H9NO4S
SMILES
CC1=NC2=C(C=CC(=C2C=C1)S(=O)(=O)O)O
InChI
InChI=1S/C10H9NO4S/c1-6-2-3-7-9(16(13,14)15)5-4-8(12)10(7)11-6/h2-5,12H,1H3,(H,13,14,15)
InChIKey
RDYCCKHYFOQHOD-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methylquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

239.02522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 147.3
[M+Na]+ 262.01444 158.0
[M-H]- 238.01794 148.9
[M+NH4]+ 257.05904 164.3
[M+K]+ 277.98838 153.8
[M+H-H2O]+ 222.02248 141.9
[M+HCOO]- 284.02342 161.5
[M+CH3COO]- 298.03907 183.9
[M+Na-2H]- 259.99989 153.4
[M]+ 239.02467 150.5
[M]- 239.02577 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.